3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

C17H26N4O2S — CID 56713368

IUPAC3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCNCC2)NC(=O)N(Cc2sc(C)nc2C)C1=O
InChIInChI=1S/C17H26N4O2S/c1-4-7-17(13-5-8-18-9-6-13)15(22)21(16(23)20-17)10-14-11(2)19-12(3)24-14/h13,18H,4-10H2,1-3H3,(H,20,23)
InChIKeyCINLYEYGYRCLBN-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.35
Rot. Bonds5

About 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (PubChem CID 56713368) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
PubChem CID56713368
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCNCC2)NC(=O)N(Cc2sc(C)nc2C)C1=O
InChIInChI=1S/C17H26N4O2S/c1-4-7-17(13-5-8-18-9-6-13)15(22)21(16(23)20-17)10-14-11(2)19-12(3)24-14/h13,18H,4-10H2,1-3H3,(H,20,23)
InChIKeyCINLYEYGYRCLBN-UHFFFAOYSA-N
XLogP2.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (CID 56713368) is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is CCCC1(C2CCNCC2)NC(=O)N(Cc2sc(C)nc2C)C1=O.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The InChIKey is CINLYEYGYRCLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-4-7-17(13-5-8-18-9-6-13)15(22)21(16(23)20-17)10-14-11(2)19-12(3)24-14/h13,18H,4-10H2,1-3H3,(H,20,23).
What are the key properties of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione has a molecular weight of 350.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 56713368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).